Restored the test (this syntax is now supported again)

egonw · egonw · commit 8ab2b5350923 · 2019-01-07T11:50:52.000+01:00
diff --git a/storage/inchi/src/test/java/org/openscience/cdk/inchi/InChIGeneratorTest.java b/storage/inchi/src/test/java/org/openscience/cdk/inchi/InChIGeneratorTest.java
@@ -903,7 +903,7 @@ public void timeout() throws Exception {
         String smiles = "C(CCCNC(=N)N)(COCC(COP([O])(=O)OCCCCCCNC(NC1=CC(=C(C=C1)C2(C3=CC=C(C=C3OC=4C2=CC=C(C4)O)O)C)C(=O)[O])=S)OP(=O)([O])OCC(COCC(CCC/[NH]=C(\\[NH])/N)(CCCNC(=N)N)CCCNC(=N)N)OP(=O)([O])OCC(COCC(CCCNC(=N)N)(CCC/[NH]=C(\\[NH])/N)CCCNC(=N)N)OP(OCC(COCC(CCCNC(=N)N)(CCCNC(=N)N)CCC/[NH]=C(\\[NH])/N)OP(=O)([O])OCC(COCC(CCCNC(=N)N)(CCCNC(N)=N)CCC/[NH]=C(/N)\\[NH])OP([O])(=O)CCC(COCC(CCCNC(=N)N)(CCC/[NH]=C(\\[NH])/N)CCCNC(=N)N)OP([O])(=O)OCC(COCC(CCCNC(N)=N)(CCCNC(N)=N)CCC/[NH]=C(\\[NH])/N)OP(OCC(COCC(CCCNC(N)=N)(CCC/[NH]=C(/N)\\[NH])CCCNC(N)=N)O=P([O])(OCC(COP(=OC(COCC(CCC/[NH]=C(\\[NH])/N)(CCCNC(N)=N)CCCNC(N)=N)COP([O])(=O)OC(COP(OC(COCC(CCCNC(=N)N)(CCC/[NH]=C(\\[NH])/N)CCCNC(=N)N)COP(OC(COCC(CCCNC(=N)N)(CCC/[NH]=C(\\[NH])/N)CCCNC(=N)N)COP([O])(=O)OC(COP(OC(COP(OC(COP(=O)([O])OC(COCC(CCC/[NH]=C(/N)\\[NH])(CCCNC(N)=N)CCCNC(=N)N)COP([O])(=O)OCCCCCCNC(NC=5C=CC(=C(C5)C(=O)[O])C6(C7=CC=C(C=C7OC=8C6=CC=C(C8)O)O)C)=S)COCC(CCCNC(N)=N)(CCC/[NH]=C(\\[NH])/N)CCCNC(=N)N)([O])=O)COCC(CCCNC(=N)N)(CCC/[NH]=C(\\[NH])/N)CCCNC(=N)N)([O])=O)COCC(CCCNC(=N)N)(CCCNC(=N)N)CCC/[NH]=C(\\[NH])/N)([O])=O)([O])=O)COCC(CCC/[NH]=C(/N)\\[NH])(CCCNC(=N)N)CCCNC(=N)N)([O])[O])(C)COP(OCCCCCCO)(=O)[O])[O])(=O)[O])([O])=O)(CCC/[NH]=C(\\[NH])/[NH])CCCNC(=N)N";
         IAtomContainer mol = smipar.parseSmiles(smiles);
         InChIGeneratorFactory inchiFact = InChIGeneratorFactory.getInstance();
-        InChIGenerator generator = inchiFact.getInChIGenerator(mol, "W1");
+        InChIGenerator generator = inchiFact.getInChIGenerator(mol, "W0.01");
         assertThat(generator.getReturnStatus(), is(INCHI_RET.ERROR));
         assertThat(generator.getLog(), containsString("Time limit exceeded"));
     }

Original file line number	Diff line number	Diff line change
`@@ -903,7 +903,7 @@ public void timeout() throws Exception {`
`903`	`903`	String smiles = "C(CCCNC(=N)N)(COCC(COP([O])(=O)OCCCCCCNC(NC1=CC(=C(C=C1)C2(C3=CC=C(C=C3OC=4C2=CC=C(C4)O)O)C)C(=O)[O])=S)OP(=O)([O])OCC(COCC(CCC/[NH]=C(\\[NH])/N)(CCCNC(=N)N)CCCNC(=N)N)OP(=O)([O])OCC(COCC(CCCNC(=N)N)(CCC/[NH]=C(\\[NH])/N)CCCNC(=N)N)OP(OCC(COCC(CCCNC(=N)N)(CCCNC(=N)N)CCC/[NH]=C(\\[NH])/N)OP(=O)([O])OCC(COCC(CCCNC(=N)N)(CCCNC(N)=N)CCC/[NH]=C(/N)\\[NH])OP([O])(=O)CCC(COCC(CCCNC(=N)N)(CCC/[NH]=C(\\[NH])/N)CCCNC(=N)N)OP([O])(=O)OCC(COCC(CCCNC(N)=N)(CCCNC(N)=N)CCC/[NH]=C(\\[NH])/N)OP(OCC(COCC(CCCNC(N)=N)(CCC/[NH]=C(/N)\\[NH])CCCNC(N)=N)O=P([O])(OCC(COP(=OC(COCC(CCC/[NH]=C(\\[NH])/N)(CCCNC(N)=N)CCCNC(N)=N)COP([O])(=O)OC(COP(OC(COCC(CCCNC(=N)N)(CCC/[NH]=C(\\[NH])/N)CCCNC(=N)N)COP(OC(COCC(CCCNC(=N)N)(CCC/[NH]=C(\\[NH])/N)CCCNC(=N)N)COP([O])(=O)OC(COP(OC(COP(OC(COP(=O)([O])OC(COCC(CCC/[NH]=C(/N)\\[NH])(CCCNC(N)=N)CCCNC(=N)N)COP([O])(=O)OCCCCCCNC(NC=5C=CC(=C(C5)C(=O)[O])C6(C7=CC=C(C=C7OC=8C6=CC=C(C8)O)O)C)=S)COCC(CCCNC(N)=N)(CCC/[NH]=C(\\[NH])/N)CCCNC(=N)N)([O])=O)COCC(CCCNC(=N)N)(CCC/[NH]=C(\\[NH])/N)CCCNC(=N)N)([O])=O)COCC(CCCNC(=N)N)(CCCNC(=N)N)CCC/[NH]=C(\\[NH])/N)([O])=O)([O])=O)COCC(CCC/[NH]=C(/N)\\[NH])(CCCNC(=N)N)CCCNC(=N)N)([O])[O])(C)COP(OCCCCCCO)(=O)[O])[O])(=O)[O])([O])=O)(CCC/[NH]=C(\\[NH])/[NH])CCCNC(=N)N";
`904`	`904`	`IAtomContainer mol = smipar.parseSmiles(smiles);`
`905`	`905`	`InChIGeneratorFactory inchiFact = InChIGeneratorFactory.getInstance();`
`906`		`- InChIGenerator generator = inchiFact.getInChIGenerator(mol, "W1");`
	`906`	`+ InChIGenerator generator = inchiFact.getInChIGenerator(mol, "W0.01");`
`907`	`907`	`assertThat(generator.getReturnStatus(), is(INCHI_RET.ERROR));`
`908`	`908`	`assertThat(generator.getLog(), containsString("Time limit exceeded"));`
`909`	`909`	`}`